2-(dimethylamino)-8-methylpteridin-7-one

C9H11N5O — CID 3235144

IUPAC2-(dimethylamino)-8-methylpteridin-7-one
SMILESCN(C)c1ncc2ncc(=O)n(C)c2n1
InChIInChI=1S/C9H11N5O/c1-13(2)9-11-4-6-8(12-9)14(3)7(15)5-10-6/h4-5H,1-3H3
InChIKeyKUORRJBRKJMMQI-UHFFFAOYSA-N
MW205.22 g/mol
LogP-0.21
Rot. Bonds1

About 2-(dimethylamino)-8-methylpteridin-7-one

2-(dimethylamino)-8-methylpteridin-7-one (PubChem CID 3235144) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-(dimethylamino)-8-methylpteridin-7-one.

Molecular Properties

Compound Name2-(dimethylamino)-8-methylpteridin-7-one
PubChem CID3235144
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name2-(dimethylamino)-8-methylpteridin-7-one
SMILESCN(C)c1ncc2ncc(=O)n(C)c2n1
InChIInChI=1S/C9H11N5O/c1-13(2)9-11-4-6-8(12-9)14(3)7(15)5-10-6/h4-5H,1-3H3
InChIKeyKUORRJBRKJMMQI-UHFFFAOYSA-N
XLogP-0.21
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-8-methylpteridin-7-one?
The IUPAC name of 2-(dimethylamino)-8-methylpteridin-7-one (CID 3235144) is 2-(dimethylamino)-8-methylpteridin-7-one.
What is the SMILES notation for 2-(dimethylamino)-8-methylpteridin-7-one?
The canonical SMILES for 2-(dimethylamino)-8-methylpteridin-7-one is CN(C)c1ncc2ncc(=O)n(C)c2n1.
What is the InChIKey of 2-(dimethylamino)-8-methylpteridin-7-one?
The InChIKey is KUORRJBRKJMMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-13(2)9-11-4-6-8(12-9)14(3)7(15)5-10-6/h4-5H,1-3H3.
What are the key properties of 2-(dimethylamino)-8-methylpteridin-7-one?
2-(dimethylamino)-8-methylpteridin-7-one has a molecular weight of 205.22 g/mol, XLogP of -0.21, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-8-methylpteridin-7-one is sourced from PubChem (CID 3235144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).